Geometry & MOs

Info

ID:	147004
PubChem CID:	53777015
Reduced:	ClN2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	786.892054
ΔH_f, kcal/mol:	-80.42
Dipole, Da:	5.34
IP(EA), eV:	-9.07(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-decyl-13-heptyl-13-octylhentriacontane

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=C(C=C1)Cl)OC2=CC3=C(C=C2)C4C(CN=N4)CO3

DOS

IR

Vibrations